N-[(4-ethylphenyl)methyl]-2-phenylpropan-1-amine

C18H23N — CID 43079999

IUPACN-[(4-ethylphenyl)methyl]-2-phenylpropan-1-amine
SMILESCCc1ccc(CNCC(C)c2ccccc2)cc1
InChIInChI=1S/C18H23N/c1-3-16-9-11-17(12-10-16)14-19-13-15(2)18-7-5-4-6-8-18/h4-12,15,19H,3,13-14H2,1-2H3
InChIKeyZAFVOCHZJOCAQA-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.14
Rot. Bonds6

About N-[(4-ethylphenyl)methyl]-2-phenylpropan-1-amine

N-[(4-ethylphenyl)methyl]-2-phenylpropan-1-amine (PubChem CID 43079999) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-2-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-2-phenylpropan-1-amine
PubChem CID43079999
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-[(4-ethylphenyl)methyl]-2-phenylpropan-1-amine
SMILESCCc1ccc(CNCC(C)c2ccccc2)cc1
InChIInChI=1S/C18H23N/c1-3-16-9-11-17(12-10-16)14-19-13-15(2)18-7-5-4-6-8-18/h4-12,15,19H,3,13-14H2,1-2H3
InChIKeyZAFVOCHZJOCAQA-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
N-benzyl-2-(4-bromophenyl)propan-1-amine
CID 67472007
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylpropan-1-amine
CID 22026275
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylpropan-1-amine
CID 43182085
N-[(5-bromothiophen-3-yl)methyl]-2-phenylpropan-1-amine
CID 43431962
N,N'-bis[(4-ethylphenyl)methyl]-1,2-diphenylethane-1,2-diamine
CID 139633407
1-ethyl-4-(3-phenylbutyl)benzene
CID 57279171
N-benzyl-2-naphthalen-2-ylpropan-1-amine
CID 11011230
2-methyl-N-(2-phenylpropyl)propan-1-amine;hydrochloride
CID 17157782
7-ethyl-4-[[[(2R)-2-phenylpropyl]amino]methyl]chromen-2-one
CID 9264105
N-benzyl-2-phenylbutan-1-amine
CID 60658494
N-[2-(4-chlorophenyl)ethyl]-2-phenylpropan-1-amine;hydrochloride
CID 17208769

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-2-phenylpropan-1-amine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-2-phenylpropan-1-amine (CID 43079999) is N-[(4-ethylphenyl)methyl]-2-phenylpropan-1-amine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-2-phenylpropan-1-amine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-2-phenylpropan-1-amine is CCc1ccc(CNCC(C)c2ccccc2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-2-phenylpropan-1-amine?
The InChIKey is ZAFVOCHZJOCAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-3-16-9-11-17(12-10-16)14-19-13-15(2)18-7-5-4-6-8-18/h4-12,15,19H,3,13-14H2,1-2H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-2-phenylpropan-1-amine?
N-[(4-ethylphenyl)methyl]-2-phenylpropan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-2-phenylpropan-1-amine is sourced from PubChem (CID 43079999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).